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Batyl Alcohol
CAS: 544-62-7 | C21H44O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
544-62-7
Molecular Formula:
C21H44O3
Molecular Mass:
344.58 g/mol
Names and Synonyms:
Batyl Alcohol
1,2-Propanediol, 3-(octadecyloxy)-
3-(Octadecyloxy)-1,2-propanediol
Batilol
Batyl alcohol
Glycerol monooctadecyl ether
1-O-Octadecylglycerol
Glyceryl-1-octadecyl ether
Stearyl monoglyceride
1-Octadecyloxy-2,3-dihydroxypropane
Glycerol 1-octadecyl ether
1-Octadecylglycerol
α-Monostearyl glyceryl ether
rac-1-O-Octadecylglycerol
(±)-1-Octadecylglycerol
(±)-Batyl alcohol
(RS)-Batyl alcohol
(±)-3-(Octadecyloxy)-1,2-propanediol
2,3-Dihydroxypropyl octadecyl ether
3-Stearyloxy-1,2-propylene glycol
Nikkol Batyl Alcohol EX
Octadecyl-α-glycerol ether
NSC 284200
NSC 8716
Nikkol Batyl Alcohol 100
Batil alcohol
Glycerol 1-octdecyl ether
1-Octadecyloxy-2,3-propanediol
3-Octadecoxypropane-1,2-diol
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCCOCC(O)CO
InChI:
InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3
Key Properties
Boiling Point
215-220 °C @ Press: 2 Torr
CAS Common Chemistry
Melting Point
70.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 344.58 g/mol | CAS Common Chemistry |
| 344.32904526799996 g/mol | RDKit | |
| Boiling Point | 215-220 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC(O)COCCCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h21-23H,2-20H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OGBUMNBNEWYMNJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 70.5 °C | CAS Common Chemistry |
| Name | Batyl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 49.69 Ų | RDKit |
| LogP | 5.617700000000006 | RDKit |
| Molar Refractivity | 103.45760000000008 | RDKit |
